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Substrate Report for: Methyl-4-O-methyl-beta-D-glucopyranuronate

substrate analogue of the ester linkage between the 4-O-methyl-D-glucuronic acid of glucuronoxylan and lignin alcohols


General
Type Glucuronoyl, Carbohydrate
Chemical_Nomenclature methyl (2S,3S,4R,5R,6R)-4,5,6-trihydroxy-3-methoxyoxane-2-carboxylate
Canonical SMILES COC1C(C(C(OC1C(=O)OC)O)O)O
InChI InChI=1S/C8H14O7/c1-13-5-3(9)4(10)7(11)15-6(5)8(12)14-2/h3-7,9-11H,1-2H3/t3-,4-,5+,6+,7-/m1/s1
InChIKey MKGHDZIEKZPBCZ-ULQPCXBYSA-N
Other name(s) ZINC77303174 ; Methyl 4-O-Methyl-Beta-D-Glucopyranuronate ; WURCS=1.0/1,0/[12122a|1,5|4*OC|6*=O|6*OC] ; MCU ; methyl 4-O-methyl-d-glucopyranuronate
________________________________________________________________________________________________
MW|222.19
Formula|C8H14O7
CAS_number|
PubChem|70680055, 129849261
UniChem|MKGHDZIEKZPBCZ-ULQPCXBYSA-N
IUPHAR|
Wikipedia|

Target
Families | Methyl-4-O-methyl-beta-D-glucopyranuronate ligand of proteins in family: Glucuronoyl_esterase
Stucture | 1 structure: 4G4J: Crystal structure of glucuronoyl esterase S213A mutant from Sporotrichum thermophile in complex with methyl 4-O-methyl-beta-D-glucopyranuronate determined at 2.35 A resolution
Protein | thiha-cip2, unkp-CE15

References:
Search PubMed for references concerning: Methyl-4-O-methyl-beta-D-glucopyranuronate
    Title: Structural insight into a CE15 esterase from the marine bacterial metagenome
    De Santi C, Gani OA, Helland R, Williamson A
    Ref: Sci Rep, 7:17278, 2017 : PubMed

            

    Title: The structure of a novel glucuronoyl esterase from Myceliophthora thermophila gives new insights into its role as a potential biocatalyst.
    Charavgi MD, Dimarogona M, Topakas E, Christakopoulos P, Chrysina ED
    Ref: Acta Crystallographica D Biol Crystallogr, 69:63, 2013 : PubMed